1,1-DIETHOXY-3,5,5-TRIMETHYLHEXANE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40868949

Structure

InChI Key SXOLJHFGARCGQT-UHFFFAOYSA-N
Smiles O(CC)C(OCC)CC(C)CC(C)(C)C
InChI
InChI=1/C13H28O2/c1-7-14-12(15-8-2)9-11(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H28O2
Molecular Weight 216.21
AlogP 3.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 18.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 86198-35-8
NORMAN SUSDAT
PubChem 3021099
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